Structure Database (LMSD)

Common Name
all-trans-Undecaprenyl phosphate
Systematic Name
(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl dihydrogen phosphate
Synonyms
  • Undecaprenyl phosphate
  • undecaprenyl phosphate
LM ID
LMPR03020006
Formula
C55H91O4P
Exact Mass
Calculate m/z
846.665498
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Bactoprenol monophosphates [PR0302]

String Representations

InChiKey (Click to copy)
UFPHFKCTOZIAFY-RDQGWRCRSA-N
InChi (Click to copy)
InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+
SMILES (Click to copy)
C(/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/COP(O)(O)=O)=C(\C)/C

Other Databases

KEGG ID
C00348
CHEBI ID
16141
PubChem CID
5280338

Calculated Physicochemical Properties

Heavy Atoms 60
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 986.01
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 18.95
Molar Refractivity 267.55

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Created at
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Updated at
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